Browsing by Author "Poater i Teixidor, Jordi"
orcId Poater i Teixidor, Jordi​ researcherId Poater i Teixidor, Jordi​ scopusId Poater i Teixidor, Jordi​ ​

Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory

Índexos de localització i deslocalització derivats de la densitat bielectrònica: anàlisi i aplicacions en estructura molecular, reactivitat química i aromaticitat

Thesis open access ​

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Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace

Analysis of electron delocalization in aromatic systems: individual molecular orbital contributions to Para-Delocalization Indexes (PDI)

A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity

UdG: una universitat transfronterera

Cont. press open access ​

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Open-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule

All-metal aromatic clusters M4 2- (M = B, Al, and Ga). Are π-electrons distortive or not?

Analysis of chemical bonding and aromaticity from electronic delocalization descriptors

Thesis open access ​

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An analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine with the turn-upside-down approach

Understanding conjugation and hyperconjugation from electronic delocalization measures

An Assessment of the Validity of the Maximum Hardness Principle in Chemical Reactions

Molecular structures of M2N22- (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm

Properties of poly(3-halidethiophene)s

Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs

On the electronic structure of second generation Hoveyda-Grubbs alkene metathesis precursors

Examining the formation of specific interactions between poly (3,4-ethylenedioxythiophene) and nucleotide bases

Unraveling the Origin of the Relative Stabilities of Group 14 M2N22+ (M, N = C, Si, Ge, Sn, and Pb) Isomer Clusters

A simple link between hydrocarbon and borohydride chemistries

X2Y2 isomers: Tuning structure and relative stability through electronegativity differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te)

Aromatic properties of 8-hydroxyquinoline and its metal complexes

Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: Molecular structure and bonding

Analysis of the relative stabilities of ortho, meta, and para MClY(XC 4H4)(PH3)2 heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO)

On the use of energy decomposition analyses to unravel the origin of the relative stabilities of isomers

Thesis open access ​

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